N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline

C290H243Cl3N14O5S2Si — CID 158409638

IUPACN-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline
SMILESC.C.CCC.CCC(C)c1ccc(S(=O)(=O)[O-])cc1.Cc1cccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)cc(-c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)c3)cc2)c1.Cc1sc(C)c2c1OCCO2.Nc1ccc([Si](Cl)(Cl)Cl)cc1.[H+].c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(N(c2ccc(N(c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C72H54N4.C66H48N4.C63H51N3.C60H44N2.C10H14O3S.C8H10O2S.C6H6Cl3NSi.C3H8.2CH4/c1-7-19-61(20-8-1)73(62-21-9-2-10-22-62)67-43-31-55(32-44-67)57-35-47-69(48-36-57)75(65-27-15-5-16-28-65)71-51-39-59(40-52-71)60-41-53-72(54-42-60)76(66-29-17-6-18-30-66)70-49-37-58(38-50-70)56-33-45-68(46-34-56)74(63-23-11-3-12-24-63)64-25-13-4-14-26-64;1-4-25-52(26-5-1)68(64-34-16-22-49-19-10-13-31-61(49)64)58-43-37-55(38-44-58)67(56-39-45-59(46-40-56)69(53-27-6-2-7-28-53)65-35-17-23-50-20-11-14-32-62(50)65)57-41-47-60(48-42-57)70(54-29-8-3-9-30-54)66-36-18-24-51-21-12-15-33-63(51)66;1-46-16-13-25-61(40-46)64(55-19-7-4-8-20-55)58-34-28-49(29-35-58)52-43-53(50-30-36-59(37-31-50)65(56-21-9-5-10-22-56)62-26-14-17-47(2)41-62)45-54(44-52)51-32-38-60(39-33-51)66(57-23-11-6-12-24-57)63-27-15-18-48(3)42-63;1-5-13-45(14-6-1)49-21-33-55(34-22-49)61(56-35-23-50(24-36-56)46-15-7-2-8-16-46)59-41-29-53(30-42-59)54-31-43-60(44-32-54)62(57-37-25-51(26-38-57)47-17-9-3-10-18-47)58-39-27-52(28-40-58)48-19-11-4-12-20-48;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-5-7-8(6(2)11-5)10-4-3-9-7;7-11(8,9)6-3-1-5(10)2-4-6;1-3-2;;/h1-54H;1-48H;4-45H,1-3H3;1-44H;4-8H,3H2,1-2H3,(H,11,12,13);3-4H2,1-2H3;1-4H,10H2;3H2,1-2H3;2*1H4
InChIKeyGZDHDTNADYECRF-UHFFFAOYSA-N
MW4202.81 g/mol
LogP83.75
Rot. Bonds54

About N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline

N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline (PubChem CID 158409638) has the molecular formula C290H243Cl3N14O5S2Si and a molecular weight of 4202.81 g/mol. Its IUPAC name is N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline.

Molecular Properties

Compound NameN-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline
PubChem CID158409638
Molecular FormulaC290H243Cl3N14O5S2Si
Molecular Weight4202.81 g/mol
Exact Mass4197.75
IUPAC NameN-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline
SMILESC.C.CCC.CCC(C)c1ccc(S(=O)(=O)[O-])cc1.Cc1cccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)cc(-c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)c3)cc2)c1.Cc1sc(C)c2c1OCCO2.Nc1ccc([Si](Cl)(Cl)Cl)cc1.[H+].c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(N(c2ccc(N(c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C72H54N4.C66H48N4.C63H51N3.C60H44N2.C10H14O3S.C8H10O2S.C6H6Cl3NSi.C3H8.2CH4/c1-7-19-61(20-8-1)73(62-21-9-2-10-22-62)67-43-31-55(32-44-67)57-35-47-69(48-36-57)75(65-27-15-5-16-28-65)71-51-39-59(40-52-71)60-41-53-72(54-42-60)76(66-29-17-6-18-30-66)70-49-37-58(38-50-70)56-33-45-68(46-34-56)74(63-23-11-3-12-24-63)64-25-13-4-14-26-64;1-4-25-52(26-5-1)68(64-34-16-22-49-19-10-13-31-61(49)64)58-43-37-55(38-44-58)67(56-39-45-59(46-40-56)69(53-27-6-2-7-28-53)65-35-17-23-50-20-11-14-32-62(50)65)57-41-47-60(48-42-57)70(54-29-8-3-9-30-54)66-36-18-24-51-21-12-15-33-63(51)66;1-46-16-13-25-61(40-46)64(55-19-7-4-8-20-55)58-34-28-49(29-35-58)52-43-53(50-30-36-59(37-31-50)65(56-21-9-5-10-22-56)62-26-14-17-47(2)41-62)45-54(44-52)51-32-38-60(39-33-51)66(57-23-11-6-12-24-57)63-27-15-18-48(3)42-63;1-5-13-45(14-6-1)49-21-33-55(34-22-49)61(56-35-23-50(24-36-56)46-15-7-2-8-16-46)59-41-29-53(30-42-59)54-31-43-60(44-32-54)62(57-37-25-51(26-38-57)47-17-9-3-10-18-47)58-39-27-52(28-40-58)48-19-11-4-12-20-48;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-5-7-8(6(2)11-5)10-4-3-9-7;7-11(8,9)6-3-1-5(10)2-4-6;1-3-2;;/h1-54H;1-48H;4-45H,1-3H3;1-44H;4-8H,3H2,1-2H3,(H,11,12,13);3-4H2,1-2H3;1-4H,10H2;3H2,1-2H3;2*1H4
InChIKeyGZDHDTNADYECRF-UHFFFAOYSA-N
XLogP83.75
TPSA143.80 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds54
Heavy Atoms315
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004202.81
LogP ≤ 583.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline with MolForge

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Related Compounds

4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90967066
3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59747058
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 158590649
N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane
CID 159095466
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 160638191
N-[4-[4-[4-(3-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-(3-methylphenyl)naphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 157153333
4-N-[4-(4-aminophenyl)phenyl]-1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)naphthalen-1-yl]-1-N-phenylnaphthalene-1,4-diamine
CID 175485337
1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 58426696
N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 91284836
N-[4-[4-[N-(4-butan-2-ylphenyl)-4-[3-[4-[N-(4-butan-2-ylphenyl)-4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59566466
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 154603864

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline?
The IUPAC name of N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline (CID 158409638) is N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline.
What is the SMILES notation for N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline?
The canonical SMILES for N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline is C.C.CCC.CCC(C)c1ccc(S(=O)(=O)[O-])cc1.Cc1cccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)cc(-c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)c3)cc2)c1.Cc1sc(C)c2c1OCCO2.Nc1ccc([Si](Cl)(Cl)Cl)cc1.[H+].c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(N(c2ccc(N(c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline?
The InChIKey is GZDHDTNADYECRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N4.C66H48N4.C63H51N3.C60H44N2.C10H14O3S.C8H10O2S.C6H6Cl3NSi.C3H8.2CH4/c1-7-19-61(20-8-1)73(62-21-9-2-10-22-62)67-43-31-55(32-44-67)57-35-47-69(48-36-57)75(65-27-15-5-16-28-65)71-51-39-59(40-52-71)60-41-53-72(54-42-60)76(66-29-17-6-18-30-66)70-49-37-58(38-50-70)56-33-45-68(46-34-56)74(63-23-11-3-12-24-63)64-25-13-4-14-26-64;1-4-25-52(26-5-1)68(64-34-16-22-49-19-10-13-31-61(49)64)58-43-37-55(38-44-58)67(56-39-45-59(46-40-56)69(53-27-6-2-7-28-53)65-35-17-23-50-20-11-14-32-62(50)65)57-41-47-60(48-42-57)70(54-29-8-3-9-30-54)66-36-18-24-51-21-12-15-33-63(51)66;1-46-16-13-25-61(40-46)64(55-19-7-4-8-20-55)58-34-28-49(29-35-58)52-43-53(50-30-36-59(37-31-50)65(56-21-9-5-10-22-56)62-26-14-17-47(2)41-62)45-54(44-52)51-32-38-60(39-33-51)66(57-23-11-6-12-24-57)63-27-15-18-48(3)42-63;1-5-13-45(14-6-1)49-21-33-55(34-22-49)61(56-35-23-50(24-36-56)46-15-7-2-8-16-46)59-41-29-53(30-42-59)54-31-43-60(44-32-54)62(57-37-25-51(26-38-57)47-17-9-3-10-18-47)58-39-27-52(28-40-58)48-19-11-4-12-20-48;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-5-7-8(6(2)11-5)10-4-3-9-7;7-11(8,9)6-3-1-5(10)2-4-6;1-3-2;;/h1-54H;1-48H;4-45H,1-3H3;1-44H;4-8H,3H2,1-2H3,(H,11,12,13);3-4H2,1-2H3;1-4H,10H2;3H2,1-2H3;2*1H4.
What are the key properties of N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline?
N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline has a molecular weight of 4202.81 g/mol, XLogP of 83.75, 54 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;4-butan-2-ylbenzenesulfonate;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;hydron;methane;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;propane;4-trichlorosilylaniline is sourced from PubChem (CID 158409638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).